4-Chloro-4'-methoxybutyrophenone
TL;DR: 4-Chloro-4'-methoxybutyrophenone (CAS 40877-19-8) is a chemical compound with molecular formula C11H13ClO2 and molecular weight 212.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1-(4-methoxyphenyl)butan-1-one
Also Known As: 4-Chloro-4'-methoxybutyrophenone, 4-chloro-1-(4-methoxyphenyl)butan-1-one, null, NCIOpen2_003784, 4-chloro-1-(4-methoxyphenyl)-1-butanone
| Molecular Formula | C11H13ClO2 |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 212.06041 |
| Heavy Atoms | 14 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 40877-19-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CCCCl |
| InChIKey | NGBTWDPPZFGUAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-4'-methoxybutyrophenone (CAS 40877-19-8), with molecular formula C11H13ClO2 and molecular weight 212.06 g/mol. IUPAC: 4-chloro-1-(4-methoxyphenyl)butan-1-one.
Chemical Property Profile of 4-Chloro-4'-methoxybutyrophenone
Property Insights of 4-Chloro-4'-methoxybutyrophenone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-4'-methoxybutyrophenone. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Chloro-4'-methoxybutyrophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-4'-methoxybutyrophenone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Chloro-4'-methoxybutyrophenone?
The CAS number of 4-Chloro-4'-methoxybutyrophenone is 40877-19-8.
What is the molecular formula of 4-Chloro-4'-methoxybutyrophenone?
The molecular formula of 4-Chloro-4'-methoxybutyrophenone is C11H13ClO2.
What is the molecular weight of 4-Chloro-4'-methoxybutyrophenone?
The molecular weight of 4-Chloro-4'-methoxybutyrophenone is 212.06 g/mol.
Where can I buy 4-Chloro-4'-methoxybutyrophenone?
You can request a quote for 4-Chloro-4'-methoxybutyrophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-4'-methoxybutyrophenone?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-4'-methoxybutyrophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.